1-[(1S)-1-phenylprop-2-enyl]pyridin-2-one

C14H13NO — CID 102503080

IUPAC1-[(1S)-1-phenylprop-2-enyl]pyridin-2-one
SMILESC=C[C@@H](c1ccccc1)n1ccccc1=O
InChIInChI=1S/C14H13NO/c1-2-13(12-8-4-3-5-9-12)15-11-7-6-10-14(15)16/h2-11,13H,1H2/t13-/m0/s1
InChIKeyDNTYLMDXGVPHID-ZDUSSCGKSA-N
MW211.26 g/mol
LogP2.62
Rot. Bonds3

About 1-[(1S)-1-phenylprop-2-enyl]pyridin-2-one

1-[(1S)-1-phenylprop-2-enyl]pyridin-2-one (PubChem CID 102503080) has the molecular formula C14H13NO and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-[(1S)-1-phenylprop-2-enyl]pyridin-2-one.

Molecular Properties

Compound Name1-[(1S)-1-phenylprop-2-enyl]pyridin-2-one
PubChem CID102503080
Molecular FormulaC14H13NO
Molecular Weight211.26 g/mol
Exact Mass211.10
IUPAC Name1-[(1S)-1-phenylprop-2-enyl]pyridin-2-one
SMILESC=C[C@@H](c1ccccc1)n1ccccc1=O
InChIInChI=1S/C14H13NO/c1-2-13(12-8-4-3-5-9-12)15-11-7-6-10-14(15)16/h2-11,13H,1H2/t13-/m0/s1
InChIKeyDNTYLMDXGVPHID-ZDUSSCGKSA-N
XLogP2.62
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[(1S)-1-phenylprop-2-enyl]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4-bis(1-phenylprop-2-enyl)piperazine
CID 67460687
1-(2-oxo-1,2-diphenylethyl)pyridin-2-one
CID 3828854
1-(1-phenylprop-2-enyl)piperidine
CID 10932509
1-pentan-3-ylpyridin-2-one
CID 90220799
1-(2-amino-2-phenylethyl)pyridin-2-one
CID 16783269
(3S)-5-oxo-1-[(1S)-1-phenylprop-2-enyl]pyrrolidine-3-carboxylic acid
CID 142276070
(2R)-3-oxo-2-(2-oxo-1-pyridinyl)-3-phenyl-N,N-bis(prop-2-enyl)propanamide
CID 7233719
1-(2-amino-2-phenylethyl)pyridin-2-one;hydrochloride
CID 91662965
[(1R,2S)-1-ethenyl-2-phenylbut-3-enyl]benzene
CID 12573330
penta-1,4-dien-3-ylbenzene
CID 15879286
6-chloro-9-[(1R)-1-phenylprop-2-enyl]purine
CID 101478561
2-(3,4-difluorophenyl)-2-(2-oxo-1-pyridinyl)acetic acid
CID 68688446

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-phenylprop-2-enyl]pyridin-2-one?
The IUPAC name of 1-[(1S)-1-phenylprop-2-enyl]pyridin-2-one (CID 102503080) is 1-[(1S)-1-phenylprop-2-enyl]pyridin-2-one.
What is the SMILES notation for 1-[(1S)-1-phenylprop-2-enyl]pyridin-2-one?
The canonical SMILES for 1-[(1S)-1-phenylprop-2-enyl]pyridin-2-one is C=C[C@@H](c1ccccc1)n1ccccc1=O.
What is the InChIKey of 1-[(1S)-1-phenylprop-2-enyl]pyridin-2-one?
The InChIKey is DNTYLMDXGVPHID-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H13NO/c1-2-13(12-8-4-3-5-9-12)15-11-7-6-10-14(15)16/h2-11,13H,1H2/t13-/m0/s1.
What are the key properties of 1-[(1S)-1-phenylprop-2-enyl]pyridin-2-one?
1-[(1S)-1-phenylprop-2-enyl]pyridin-2-one has a molecular weight of 211.26 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-phenylprop-2-enyl]pyridin-2-one is sourced from PubChem (CID 102503080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).